1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole

C23H29N — CID 59549688

IUPAC1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole
SMILESCC1CCC(CCc2ccc(N3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C23H29N/c1-18-6-8-19(9-7-18)10-11-20-12-14-22(15-13-20)24-17-16-21-4-2-3-5-23(21)24/h2-5,12-15,18-19H,6-11,16-17H2,1H3
InChIKeySCZQUSUZMBRBED-UHFFFAOYSA-N
MW319.49 g/mol
LogP6.14
Rot. Bonds4

About 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole

1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole (PubChem CID 59549688) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole
PubChem CID59549688
Molecular FormulaC23H29N
Molecular Weight319.49 g/mol
Exact Mass319.23
IUPAC Name1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole
SMILESCC1CCC(CCc2ccc(N3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C23H29N/c1-18-6-8-19(9-7-18)10-11-20-12-14-22(15-13-20)24-17-16-21-4-2-3-5-23(21)24/h2-5,12-15,18-19H,6-11,16-17H2,1H3
InChIKeySCZQUSUZMBRBED-UHFFFAOYSA-N
XLogP6.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole
CID 59231417
1-[4-(bromomethyl)phenyl]-2,3-dihydroindole
CID 107079450
3-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]propan-1-amine
CID 82304536
1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole
CID 59549594
2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine
CID 59230378
N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline
CID 59230174
1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline
CID 28946417
CID 20632303
CID 20632303
2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
CID 67980841
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
3-[2-(4-methylcyclohexyl)ethyl]aniline
CID 86029509
1-(3,5-dimethylphenyl)-2,3-dihydroindole
CID 91512599

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole?
The IUPAC name of 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole (CID 59549688) is 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole?
The canonical SMILES for 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole is CC1CCC(CCc2ccc(N3CCc4ccccc43)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole?
The InChIKey is SCZQUSUZMBRBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N/c1-18-6-8-19(9-7-18)10-11-20-12-14-22(15-13-20)24-17-16-21-4-2-3-5-23(21)24/h2-5,12-15,18-19H,6-11,16-17H2,1H3.
What are the key properties of 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole?
1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole has a molecular weight of 319.49 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole is sourced from PubChem (CID 59549688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).